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EC number: 261-118-8 | CAS number: 58096-47-2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Feb to March 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- GLP compliance:
- yes
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate
- EC Number:
- 261-118-8
- EC Name:
- Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate
- Cas Number:
- 58096-47-2
- Molecular formula:
- C16H26O2
- IUPAC Name:
- decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate (Product Name: Clovanyl-3-Formate/Caryolan)
In chemico test system
- Details on the study design:
- The DPRA is an in chemico method which quantifies the remaining concentration of cysteine- or lysine-containing peptide following 24 hours incubation with the test item at 25±2.5ºC. The synthetic peptides contain phenylalanine to aid in the detection. Relative peptide concentration is measured by High Performance Liquid Chromatography (HPLC) with gradient elution and UV detection at 220 nm. Cysteine and lysine peptide percent depletion values are then calculated and used in a prediction model (Section 11) which allows assigning the test item to one of four reactivity classes used to support the discrimination between sensitisers and non-sensitisers.
Results and discussion
- Positive control results:
- The mean of cysteine and lysine peptide depletion by the positive control (cinnamaldehyde) was 63.89% which shows that the positive control is a sensitizer with high reactivity, according to cysteine 1:10/lysine 1:50 prediction model, in Direct Peptide Reactivity Assay (DPRA) confirming the sensitivity of the test.
In vitro / in chemico
Results
- Key result
- Parameter:
- other: Mean % peptide depletion
- Value:
- 1
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- All criteria for test chemical were met for the run to be considered valid.
a) The maximum standard deviation (SD) of sample replicates was 9.76% (limit < 14.9%) for the percent cysteine depletion and 1.27% (limit <11.6%) for the percent lysine depletion
b) For each solvent used, the mean of the peptide concentrations of the three appropriate Reference Controls C was 0.47 mM and 0.51 mM for cysteine and lysine peptide respectively (range 0.50±0.05 mM).
Any other information on results incl. tables
Table: Reactivity Class Classification of Test Item and Positive Control as per Cysteine 1:10/Lysine 1:50 Prediction Model
Sample ID/ Code |
Name of the chemical |
Mean % of Cysteine Peptide Depletion |
Mean % of Lysine Peptide Depletion |
Mean % peptide depletion |
Reactivity class |
DPRA prediction |
CA |
Cinnamic aldehyde |
71.45 |
56.33 |
63.89 |
High Reactivity |
Positive |
A076-01 |
Clovanyl-3-Formate (CARYOLAN) |
0 |
2.00 |
1.00 |
No or Minimal Reactivity |
Negative |
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The mean of cysteine and lysine peptide depletion by the test item [Clovanyl-3-Formate (CARYOLAN)] was 1.00% which shows that the test item has no or minimal reactivity on the skin sensitisation potential. Under the testing conditions, test item [Clovanyl-3-Formate (CARYOLAN)] was concluded as negative or non-sensitiser with no or minimal reactivity in Direct Peptide Reactivity Assay (DPRA).
- Executive summary:
Skin sensitisation test byin chemicotest method, Direct Peptide Reactivity Assay (DPRA) was carried out using the nucleophile containing synthetic cysteine and lysine peptides to evaluate the skin sensitisation potential of the test item, Clovanyl-3-Formate (CARYOLAN) and to classify as skin sensitiser or non-skin sensitiser.
Solubility check was performed for the test item before test sample analysis. The test item, Clovanyl-3-Formate (CARYOLAN), was found to be soluble in acetonitrile and formed a homogenous solution at 100 mM concentration.
On the day of test sample preparation, appropriate amount of cysteine and lysine peptide was weighed and dissolved in phosphate buffer and ammonium acetate buffer respectively. The stock concentration of cysteine peptide prepared was 0.501 mg/mL (0.667 mM) and lysine peptide was 0.518 mg/mL (0.667 mM). The preparations were done immediately before use.
Test item and positive control solutions prepared at 100 mM concentration and used in the test sample preparation for analysis. Test item, positive control and reference control was added to cysteine and lysine peptides and incubated in dark at 25°C for 24±2 hours. Post incubation, the test samples were analysed using HPLC as per section 9 to measure the peptide depletion.
Cysteine and lysine peptide Percent Depletion Values are then calculated from peptide peak areas obtained from the HPLC analysis. The data of test sample analysis meeting all the acceptance criterion as per OECD 442C were only considered for reporting. The test item Clovanyl-3-Formate (CARYOLAN) showed 0% mean cysteine peptide depletion and 2.0% mean lysine peptide depletion. Under the same circumstances positive control (cinnamaldehyde) showed 71.45% and 56.33% mean cysteine and lysine peptide depletion.
To classify test item as sensitizers and non- sensitizers, the cysteine 1:10/lysine 1:50 prediction was used. The mean of cysteine and lysine peptide depletion by the positive control (cinnamaldehyde) was 63.89% which shows that the positive control is a sensitizer with high reactivity confirming the sensitivity of the assay. The mean of cysteine and lysine peptide depletion by the test item [Clovanyl-3-Formate (CARYOLAN)] was 1.00% which shows that the test item has no or minimal reactivity on the skin sensitisation potential. Under the testing conditions, test item [Clovanyl-3-Formate (CARYOLAN)] was concluded as negative or non-sensitiser with no or minimal reactivity in Direct Peptide Reactivity Assay (DPRA).
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